UCSF

ZINC01543478

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 12 Yes

Popular Name: TC-2403 TC-2403

Find On: PubMed — Wikipedia — Google

CAS Numbers: 183288-99-5 , 220088-40-4

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.30 4.71 -42.37 2 2 1 29 163.244 4 ↓
Lo Low (pH 4.5-6) 1.30 5.19 -82.59 3 2 2 31 164.252 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104283-2-O Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other Other 4300 0.63 Binding ≤ 10μM
Z104290-1-O Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other Other 730 0.72 Binding ≤ 10μM
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 940 0.70 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104290 Z104290 Neuronal Acetylcholine Receptor; Alpha4/beta2 26 0.88 Binding ≤ 1μM
Z104283 Z104283 Neuronal Acetylcholine Receptor; Alpha4/beta2 25 0.89 Binding ≤ 1μM
Z104290 Z104290 Neuronal Acetylcholine Receptor; Alpha4/beta2 26 0.88 Binding ≤ 10μM
Z104283 Z104283 Neuronal Acetylcholine Receptor; Alpha4/beta2 25 0.89 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 940 0.70 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )